CID 3023482

2-benzyloxy-6-fluorobenzonitrile

Structural Information

Molecular Formula

C₁₄H₁₀FNO

SMILES

C1=CC=C(C=C1)COC2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C14H10FNO/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8H,10H2

InChIKey

ITKHCBLEEGSDOF-UHFFFAOYSA-N

Compound name

2-fluoro-6-phenylmethoxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 227.07465 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.081926	149.7
[M+Na]+	250.063868	160.6
[M-H]-	226.067374	154.1
[M+NH4]+	245.108473	165.9
[M+K]+	266.037808	154.8
[M+H-H2O]+	210.071910	135.4
[M+HCOO]-	272.072851	169.6
[M+CH3COO]-	286.088501	201.5
[M+Na-2H]-	248.049316	155.0
[M]+	227.07410142	144.6
[M]-	227.07519858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe